Input 06-rdmft.03-gs_grid.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| RDMFT converged energy | -1.176087142500000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172094999999263e-04 | PASS |
| RDMFT highest occupation number | 1.946763506002000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321095199988356e-05 | PASS |